2-(4-BIPHENYLYL)-5-PHENYL-1,3,4-OXADIAZOLE(852-38-0) IR2
Product Name2-(4-BIPHENYLYL)-5-PHENYL-1,3,4-OXADIAZOLE
CAS852-38-0
Molecular FormulaC20H14N2O
Molecular Weight298.34
InChIInChI=1S/C20H14N2O/c1-3-7-15(8-4-1)16-11-13-18(14-12-16)20-22-21-19(23-20)17-9-5-2-6-10-17/h1-14H
InChIKey WMAXWOOEPJQXEB-UHFFFAOYSA-N
SmilesO1C(C2=CC=CC=C2)=NN=C1C1=CC=C(C2=CC=CC=C2)C=C1
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MassMS-NW-8233 2-(4-biphenylyl)-5-phenyl-1,3,4-oxadiazole C20H14N2O (Mass of molecular ion: 298)
Source Temperature: 210 °C Sample Temperature: 140 °C Direct, 75 eV
39.0 1.7 50.0 1.0 51.0 3.5 63.0 3.1 75.0 1.0 76.0 1.8 77.0 20.9 78.0 1.5 89.0 1.6 91.0 1.4 105.0 27.9 106.0 2.1 115.0 1.9 126.0 1.0 127.0 2.3 139.0 1.8 149.0 3.2 150.0 1.0 151.0 5.4 152.0 23.3 153.0 17.0 154.0 2.0 163.0 1.6 164.0 2.5 165.0 9.9 166.0 2.1 179.0 1.2 181.0 51.9 182.0 7.4 215.0 1.1 239.0 4.3 240.0 2.7 241.0 29.2 242.0 22.4 243.0 4.0 298.0 100.0 299.0 22.6 300.0 2.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C20 H14 N2 O 0.032 g : 0.5 ml CDCl3 2-(4-biphenylyl)-5-phenyl-1,3,4-oxadiazole 
Assign. Shift(ppm)
A 8.185 B 8.142 C 7.736 D 7.635 E 7.55 to 7.50 F 7.467 G 7.396 J(A,C)=8.5HZ
Hz ppm Int.3275.63 8.197 726 3273.80 8.192 264 3268.80 8.180 338 3267.09 8.175 787 3258.91 8.155 440 3257.20 8.151 507 3253.91 8.142 314 3251.95 8.137 376 3249.27 8.131 472 3095.58 7.746 881 3093.87 7.742 284 3088.75 7.729 332 3087.16 7.725 788 3056.40 7.648 500 3054.93 7.645 646 3052.98 7.640 191 3049.07 7.630 407 3047.85 7.627 691 3046.88 7.624 585 3044.68 7.619 92 3016.97 7.550 134 3014.65 7.544 254 3012.21 7.538 1000 3010.50 7.533 896 3007.69 7.526 377 3004.88 7.519 500 3001.59 7.511 129 3000.12 7.507 146 2997.31 7.500 66 2995.73 7.496 90 2992.92 7.489 256 2991.82 7.487 370 2990.11 7.482 153 2984.74 7.469 783 2983.28 7.465 375 2978.52 7.453 257 2977.05 7.450 461 2974.98 7.444 85 2962.28 7.413 204 2961.06 7.410 336 2959.72 7.406 190 2955.81 7.396 151 2953.61 7.391 382 2951.42 7.386 96 2947.63 7.376 91 2946.41 7.373 135 2945.19 7.370 71
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
